Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 7.A OD2 no hydrogen 2.698 N/A ASP 7.A N ALA 4.A O no hydrogen 2.777 N/A GLU 9.A N ARG 26.A O no hydrogen 2.895 N/A GLY 11.A N LEU 24.A O no hydrogen 2.787 N/A LEU 14.A N VAL 22.A O no hydrogen 2.625 N/A GLY 15.A N VAL 22.A O no hydrogen 3.252 N/A LYS 16.A NZ ASN 21.A OD1 no hydrogen 3.308 N/A LYS 16.A NZ TYR 23.A OH no hydrogen 3.467 N/A GLY 17.A N GLY 20.A O no hydrogen 2.625 N/A ASN 21.A N VAL 38.A O no hydrogen 3.073 N/A VAL 22.A N GLY 15.A O no hydrogen 2.725 N/A TYR 23.A N LEU 36.A O no hydrogen 2.756 N/A LEU 24.A N ARG 12.A O no hydrogen 2.510 N/A ALA 25.A N LEU 34.A O no hydrogen 3.034 N/A ARG 26.A N GLU 9.A O no hydrogen 2.863 N/A ARG 26.A NH2 GLU 9.A OE1 no hydrogen 3.058 N/A ARG 26.A NH2 GLU 9.A OE2 no hydrogen 3.057 N/A GLU 27.A N PHE 32.A O no hydrogen 2.939 N/A LYS 28.A N ASP 7.A O no hydrogen 2.680 N/A LYS 28.A NZ GLU 6.A O no hydrogen 2.550 N/A LYS 28.A NZ PHE 8.A O no hydrogen 3.379 N/A GLN 29.A N GLU 27.A OE2 no hydrogen 3.159 N/A SER 30.A N GLU 27.A OE1 no hydrogen 2.556 N/A SER 30.A OG GLU 27.A OE1 no hydrogen 2.867 N/A LYS 31.A N GLU 27.A O no hydrogen 2.709 N/A LEU 34.A N ALA 25.A O no hydrogen 2.949 N/A ALA 35.A N LEU 85.A O no hydrogen 3.030 N/A LEU 36.A N TYR 23.A O no hydrogen 2.768 N/A LYS 37.A N LEU 83.A O no hydrogen 3.367 N/A LYS 37.A NZ ASP 149.A OD1 no hydrogen 3.437 N/A VAL 38.A N ASN 21.A O no hydrogen 2.767 N/A LEU 39.A N VAL 81.A O no hydrogen 2.949 N/A GLN 43.A N PHE 40.A O no hydrogen 3.264 N/A LEU 44.A N PHE 40.A O no hydrogen 3.378 N/A LYS 46.A N ALA 42.A O no hydrogen 3.438 N/A GLY 48.A N LEU 44.A O no hydrogen 2.714 N/A GLU 50.A N LEU 44.A O no hydrogen 3.206 N/A ARG 54.A NH1 HIS 51.A NE2 no hydrogen 2.637 N/A ARG 55.A N HIS 51.A O no hydrogen 3.210 N/A VAL 57.A N LEU 53.A O no hydrogen 2.893 N/A GLU 58.A N ARG 54.A O no hydrogen 3.445 N/A ILE 59.A N ARG 55.A O no hydrogen 2.639 N/A GLN 60.A N GLU 56.A O no hydrogen 2.658 N/A GLN 60.A NE2 LEU 69.A O no hydrogen 2.995 N/A SER 61.A N VAL 57.A O no hydrogen 3.216 N/A SER 61.A OG VAL 57.A O no hydrogen 2.822 N/A SER 61.A OG GLU 58.A O no hydrogen 3.383 N/A HIS 62.A ND1 GLU 58.A O no hydrogen 2.649 N/A LEU 63.A N GLN 60.A O no hydrogen 2.788 N/A ARG 64.A N TYR 121.A OH no hydrogen 3.116 N/A ARG 64.A NE SER 61.A O no hydrogen 3.423 N/A ARG 64.A NH2 SER 61.A O no hydrogen 3.063 N/A ASN 67.A N HIS 65.A ND1 no hydrogen 3.262 N/A ASN 67.A ND2 LEU 145.A O no hydrogen 3.058 N/A ILE 68.A N HIS 65.A O no hydrogen 3.260 N/A LEU 69.A N ILE 147.A O no hydrogen 2.861 N/A TYR 72.A N ILE 84.A O no hydrogen 2.972 N/A PHE 75.A N TYR 82.A O no hydrogen 3.245 N/A HIS 76.A ND1 ASP 77.A O no hydrogen 2.746 N/A ASP 77.A N ARG 80.A O no hydrogen 2.963 N/A ARG 80.A N ASP 77.A OD1 no hydrogen 2.587 N/A VAL 81.A N LEU 39.A O no hydrogen 3.025 N/A TYR 82.A N PHE 75.A O no hydrogen 2.905 N/A TYR 82.A OH ASP 77.A OD2 no hydrogen 3.307 N/A LEU 83.A N LYS 37.A O no hydrogen 2.808 N/A LEU 85.A N ALA 35.A O no hydrogen 2.796 N/A GLU 86.A N ARG 70.A O no hydrogen 2.874 N/A LEU 90.A N LEU 139.A O no hydrogen 3.103 N/A GLY 91.A N ALA 88.A O no hydrogen 3.387 N/A VAL 93.A N LEU 137.A O no hydrogen 3.025 N/A ARG 95.A N THR 92.A OG1 no hydrogen 2.827 N/A GLU 96.A N THR 92.A O no hydrogen 3.141 N/A LEU 97.A N TYR 94.A O no hydrogen 3.015 N/A GLN 98.A N TYR 94.A O no hydrogen 3.014 N/A LYS 99.A N ARG 95.A O no hydrogen 2.657 N/A LEU 100.A N GLU 96.A O no hydrogen 3.140 N/A SER 101.A N LEU 97.A O no hydrogen 2.550 N/A LYS 102.A N LEU 100.A O no hydrogen 2.901 N/A LYS 102.A NZ LEU 188.A O no hydrogen 3.498 N/A PHE 103.A N PHE 187.A O no hydrogen 2.804 N/A GLN 106.A NE2 SER 252.A O no hydrogen 3.462 N/A GLN 106.A NE2 SER 253.A OG no hydrogen 2.739 N/A ARG 107.A N ASP 104.A OD1 no hydrogen 2.434 N/A THR 108.A N ASP 104.A O no hydrogen 2.735 N/A THR 108.A OG1 ASP 104.A O no hydrogen 2.816 N/A ALA 109.A N GLU 105.A O no hydrogen 2.589 N/A THR 110.A N GLN 106.A O no hydrogen 2.615 N/A THR 110.A OG1 GLN 106.A O no hydrogen 2.710 N/A TYR 111.A N ARG 107.A O no hydrogen 2.882 N/A ILE 112.A N THR 108.A O no hydrogen 2.892 N/A THR 113.A N ALA 109.A O no hydrogen 3.051 N/A THR 113.A OG1 ALA 109.A O no hydrogen 2.476 N/A THR 113.A OG1 SER 252.A OG no hydrogen 2.880 N/A GLU 114.A N THR 110.A O no hydrogen 2.844 N/A LEU 115.A N TYR 111.A O no hydrogen 2.768 N/A ALA 116.A N ILE 112.A O no hydrogen 2.451 N/A ASN 117.A N THR 113.A O no hydrogen 2.621 N/A ASN 117.A ND2 HIS 65.A NE2 no hydrogen 3.603 N/A ALA 118.A N GLU 114.A O no hydrogen 2.853 N/A LEU 119.A N LEU 115.A O no hydrogen 2.565 N/A SER 120.A N ALA 116.A O no hydrogen 2.503 N/A TYR 121.A N ASN 117.A O no hydrogen 2.984 N/A CYS 122.A N ALA 118.A O no hydrogen 3.197 N/A CYS 122.A SG ALA 118.A O no hydrogen 2.904 N/A HIS 123.A N LEU 119.A O no hydrogen 3.022 N/A SER 124.A N SER 120.A O no hydrogen 2.637 N/A SER 124.A OG SER 120.A O no hydrogen 3.450 N/A LYS 125.A N TYR 121.A O no hydrogen 2.720 N/A ARG 126.A N HIS 123.A O no hydrogen 2.708 N/A VAL 127.A N CYS 122.A O no hydrogen 2.559 N/A ILE 128.A N VAL 154.A O no hydrogen 2.936 N/A HIS 129.A N ASP 176.A OD2 no hydrogen 3.055 N/A ARG 130.A N ASP 176.A OD1 no hydrogen 3.261 N/A ARG 130.A N ASP 176.A OD2 no hydrogen 3.506 N/A ARG 130.A NE TRP 152.A O no hydrogen 2.706 N/A ASP 131.A N HIS 129.A O no hydrogen 2.846 N/A ILE 132.A N ARG 130.A O no hydrogen 2.495 N/A LYS 133.A NZ ASP 131.A OD1 no hydrogen 2.526 N/A LYS 133.A NZ ASP 131.A OD2 no hydrogen 3.113 N/A ASN 136.A N LYS 133.A O no hydrogen 2.926 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.686 N/A ASN 136.A ND2 ASP 131.A OD2 no hydrogen 2.876 N/A LEU 137.A N PRO 134.A O no hydrogen 3.239 N/A LEU 138.A N LYS 146.A O no hydrogen 2.781 N/A LEU 139.A N GLY 91.A O no hydrogen 2.873 N/A GLY 140.A N GLU 144.A O no hydrogen 3.052 N/A GLY 143.A N GLY 140.A O no hydrogen 2.594 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 2.641 N/A LEU 145.A N GLU 114.A OE2 no hydrogen 3.124 N/A LYS 146.A NZ PRO 66.A O no hydrogen 2.590 N/A LYS 146.A NZ GLU 144.A OE2 no hydrogen 3.550 N/A ILE 147.A N ASN 67.A O no hydrogen 2.443 N/A ALA 148.A N ASN 136.A O no hydrogen 2.883 N/A SER 153.A OG HIS 129.A O no hydrogen 2.998 N/A SER 153.A OG PHE 150.A O no hydrogen 2.867 N/A VAL 154.A N ILE 128.A O no hydrogen 2.944 N/A TYR 160.A OH GLU 186.A OE1 no hydrogen 2.429 N/A TYR 160.A OH GLU 186.A OE2 no hydrogen 2.972 N/A LEU 161.A N LEU 158.A O no hydrogen 2.730 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.759 N/A ILE 166.A N PRO 162.A O no hydrogen 3.311 N/A GLU 167.A N PRO 163.A O no hydrogen 2.581 N/A GLY 168.A N MET 165.A O no hydrogen 2.494 N/A LYS 174.A N ASP 172.A OD1 no hydrogen 2.504 N/A LYS 174.A NZ ARG 236.A O no hydrogen 3.408 N/A LYS 174.A NZ PRO 237.A O no hydrogen 3.333 N/A ASP 176.A N GLU 173.A O no hydrogen 3.322 N/A LEU 177.A N LYS 174.A O no hydrogen 2.708 N/A TRP 178.A N LYS 174.A O no hydrogen 3.070 N/A TRP 178.A N VAL 175.A O no hydrogen 3.245 N/A SER 179.A N VAL 175.A O no hydrogen 3.033 N/A SER 179.A OG ARG 130.A O no hydrogen 3.539 N/A SER 179.A OG TYR 160.A O no hydrogen 2.922 N/A SER 179.A OG VAL 175.A O no hydrogen 3.370 N/A LEU 180.A N ASP 176.A O no hydrogen 2.783 N/A GLY 181.A N TRP 178.A O no hydrogen 2.971 N/A VAL 182.A N TRP 178.A O no hydrogen 2.978 N/A LEU 183.A N SER 179.A O no hydrogen 2.496 N/A CYS 184.A N LEU 180.A O no hydrogen 2.970 N/A TYR 185.A N GLY 181.A O no hydrogen 2.820 N/A TYR 185.A OH THR 212.A O no hydrogen 3.044 N/A GLU 186.A N VAL 182.A O no hydrogen 2.699 N/A PHE 187.A N LEU 183.A O no hydrogen 3.107 N/A LEU 188.A N CYS 184.A O no hydrogen 3.228 N/A VAL 189.A N TYR 185.A O no hydrogen 2.912 N/A VAL 189.A N GLU 186.A O no hydrogen 3.210 N/A GLY 190.A N GLU 186.A O no hydrogen 2.351 N/A LYS 191.A NZ TYR 185.A OH no hydrogen 3.146 N/A GLU 195.A N PRO 192.A O no hydrogen 3.168 N/A ASN 197.A N GLU 201.A OE1 no hydrogen 3.278 N/A GLU 201.A N THR 198.A OG1 no hydrogen 3.407 N/A THR 202.A N THR 198.A O no hydrogen 3.296 N/A THR 202.A OG1 THR 198.A O no hydrogen 2.879 N/A TYR 203.A N TYR 199.A O no hydrogen 3.136 N/A LYS 204.A N GLN 200.A O no hydrogen 3.312 N/A ARG 205.A N GLU 201.A O no hydrogen 2.648 N/A ARG 205.A NH1 GLU 195.A O no hydrogen 2.845 N/A ILE 206.A N THR 202.A O no hydrogen 3.081 N/A SER 207.A N TYR 203.A O no hydrogen 2.987 N/A SER 207.A OG TYR 203.A O no hydrogen 2.735 N/A SER 207.A OG LYS 204.A O no hydrogen 2.770 N/A ARG 208.A N LYS 204.A O no hydrogen 2.832 N/A GLU 210.A N ARG 205.A O no hydrogen 2.685 N/A VAL 217.A N PRO 214.A O no hydrogen 2.816 N/A THR 218.A OG1 GLU 105.A OE2 no hydrogen 3.470 N/A ALA 221.A N THR 218.A OG1 no hydrogen 3.354 N/A ARG 222.A N THR 218.A O no hydrogen 2.613 N/A ARG 222.A NE VAL 217.A O no hydrogen 2.740 N/A ARG 222.A NH2 PRO 214.A O no hydrogen 2.799 N/A ASP 223.A N GLU 219.A O no hydrogen 2.628 N/A LEU 224.A N GLY 220.A O no hydrogen 3.344 N/A ILE 225.A N ALA 221.A O no hydrogen 2.930 N/A SER 226.A N ARG 222.A O no hydrogen 3.296 N/A SER 226.A N ASP 223.A O no hydrogen 3.028 N/A SER 226.A OG ARG 222.A O no hydrogen 2.660 N/A ARG 227.A N ASP 223.A O no hydrogen 3.322 N/A ARG 227.A N LEU 224.A O no hydrogen 3.289 N/A LEU 228.A N ILE 225.A O no hydrogen 3.207 N/A LEU 229.A N ILE 225.A O no hydrogen 2.941 N/A SER 234.A N ASN 232.A OD1 no hydrogen 2.673 N/A SER 234.A OG ASN 232.A OD1 no hydrogen 2.929 N/A GLN 235.A N ASN 232.A O no hydrogen 2.929 N/A ARG 236.A NE LYS 230.A O no hydrogen 3.148 N/A ARG 236.A NH1 GLU 164.A OE2 no hydrogen 2.784 N/A ARG 236.A NH2 GLU 164.A OE1 no hydrogen 2.782 N/A ARG 236.A NH2 LYS 230.A O no hydrogen 3.567 N/A MET 238.A N GLU 241.A OE2 no hydrogen 2.585 N/A VAL 242.A N MET 238.A O no hydrogen 2.897 N/A LEU 243.A N LEU 239.A O no hydrogen 2.684 N/A GLU 244.A N GLU 241.A O no hydrogen 2.855 N/A HIS 245.A N GLU 241.A O no hydrogen 2.938 N/A HIS 245.A NE2 GLY 220.A O no hydrogen 2.832 N/A TRP 247.A NE1 GLU 105.A OE1 no hydrogen 2.591 N/A TRP 247.A NE1 GLU 105.A OE2 no hydrogen 3.262 N/A THR 249.A N PRO 246.A O no hydrogen 2.689 N/A THR 249.A OG1 PRO 246.A O no hydrogen 2.803 N/A ALA 250.A N PRO 246.A O no hydrogen 2.742 N/A SER 252.A OG THR 113.A OG1 no hydrogen 2.880 N/A SER 253.A N SER 252.A OG no hydrogen 2.479 N/A SER 253.A OG SER 252.A O no hydrogen 2.423 N/A